2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide

C32H32Cl12N4O10 — CID 3410942

IUPAC2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
SMILESO=C(NCc1cc2c(cc1CNC(=O)C(Cl)(Cl)Cl)OCCOCCOc1cc(CNC(=O)C(Cl)(Cl)Cl)c(CNC(=O)C(Cl)(Cl)Cl)cc1OCCOCCO2)C(Cl)(Cl)Cl
InChIInChI=1S/C32H32Cl12N4O10/c33-29(34,35)25(49)45-13-17-9-21-22(10-18(17)14-46-26(50)30(36,37)38)57-7-3-54-4-8-58-24-12-20(16-48-28(52)32(42,43)44)19(15-47-27(51)31(39,40)41)11-23(24)56-6-2-53-1-5-55-21/h9-12H,1-8,13-16H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKeyGLTNFYMFWZVNKK-UHFFFAOYSA-N
MW1058.06 g/mol
LogP6.89
Rot. Bonds8

About 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide

2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide (PubChem CID 3410942) has the molecular formula C32H32Cl12N4O10 and a molecular weight of 1058.06 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
PubChem CID3410942
Molecular FormulaC32H32Cl12N4O10
Molecular Weight1058.06 g/mol
Exact Mass1051.84
IUPAC Name2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
SMILESO=C(NCc1cc2c(cc1CNC(=O)C(Cl)(Cl)Cl)OCCOCCOc1cc(CNC(=O)C(Cl)(Cl)Cl)c(CNC(=O)C(Cl)(Cl)Cl)cc1OCCOCCO2)C(Cl)(Cl)Cl
InChIInChI=1S/C32H32Cl12N4O10/c33-29(34,35)25(49)45-13-17-9-21-22(10-18(17)14-46-26(50)30(36,37)38)57-7-3-54-4-8-58-24-12-20(16-48-28(52)32(42,43)44)19(15-47-27(51)31(39,40)41)11-23(24)56-6-2-53-1-5-55-21/h9-12H,1-8,13-16H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKeyGLTNFYMFWZVNKK-UHFFFAOYSA-N
XLogP6.89
TPSA171.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.06
LogP ≤ 56.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
CID 5076039
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
CID 110775217
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
17,18-bis(bromomethyl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 11419643
4,7,10,14,17,20-hexaoxatricyclo[11.7.0.03,11]icosa-1(13),2,11-triene
CID 176853377
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoacetamide
CID 115166249
N-[(1S)-1-[25-[(1S)-1-acetamido-2,2,2-trichloroethyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-2,2,2-trichloroethyl]acetamide
CID 99693766
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962497
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110770137
3-amino-2-hydroxy-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 115180554
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
CID 110794329
2-chloro-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 86810322

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide (CID 3410942) is 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide is O=C(NCc1cc2c(cc1CNC(=O)C(Cl)(Cl)Cl)OCCOCCOc1cc(CNC(=O)C(Cl)(Cl)Cl)c(CNC(=O)C(Cl)(Cl)Cl)cc1OCCOCCO2)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide?
The InChIKey is GLTNFYMFWZVNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl12N4O10/c33-29(34,35)25(49)45-13-17-9-21-22(10-18(17)14-46-26(50)30(36,37)38)57-7-3-54-4-8-58-24-12-20(16-48-28(52)32(42,43)44)19(15-47-27(51)31(39,40)41)11-23(24)56-6-2-53-1-5-55-21/h9-12H,1-8,13-16H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52).
What are the key properties of 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide?
2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide has a molecular weight of 1058.06 g/mol, XLogP of 6.89, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide is sourced from PubChem (CID 3410942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).